On Wed, Sep 25, 2002, eric hu wrote:
> Dr. Case, in your gb tutorial at amber.ucsf.edu
> website you do not have ntr=1 (instead you have
> ntx=1)in the restrained minimization input section.
> When I add ntr=1, amber produces an error: Unit 10
> Error on OPEN: refc
> Can you explain why this is? Thanks.
>
First, please don't send Amber related questions to me personally. Use
the reflector, <amber_at_heimdal.ucsf.edu>. That way many people can see your
question. I didn't write the gb tutorial, so I am not the correct person
to ask, anyway.
Alexey: can you look at the input files.
The "refc" refers to restraint coords. See p. 83 of the Users' Manual.
..dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
==================================================================
Received on Thu Sep 26 2002 - 08:31:19 PDT
